SCHEMBL1083534

SCHEMBL1083534

COCCCc1c[nH]c2ccc(C(C)C(CC(C=O)NC(=O)O)C(C)C)cc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.40
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TRPV1 Q8NER1 4/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR1D P28221 2/20 0.37
MTNR1A P48039 5/20 0.36
MTNR1B P49286 4/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
HTR1B P28222 1/20 0.36
PTGS2 P35354 1/20 0.36
SPR P35270 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1049084 0.87 KMT2A (0.38) KMT2APOLBTRPV1GFERHSD17B10
SCHEMBL1047567 0.84 HTR1D (0.39) KMT2APOLBTRPV1HTR1DMTNR1A
SCHEMBL5050472 0.82 HTR1D (0.35) KMT2APOLBTRPV1HTR1DMTNR1A
SCHEMBL1049206 0.81 HTR1D (0.36) CASP1KMT2APOLBTRPV1HTR1D
SCHEMBL1049891 0.80 MTNR1A (0.35) KMT2APOLBTRPV1GFERHSD17B10
Hydrochloric Acid SCHEMBL5164080 0.78 HTR1D (0.40) KMT2ATRPV1HSD17B10HTR1DMTNR1A
SCHEMBL4539260 0.78 HTR1D (0.38) TRPV1HTR1DMTNR1AMTNR1BHTR1B
SCHEMBL3769416 0.78 HTR1D (0.38) TRPV1HTR1DMTNR1AMTNR1BHTR1B
SCHEMBL1051032 0.77 HTR1D (0.36) KMT2ATRPV1HTR1DMTNR1AMTNR1B
SCHEMBL1049543 0.75 HTR1D (0.39) TRPV1HTR1DMTNR1AMTNR1BHTR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C CASP1 3237/4885KMT2A 3647/4885POLB 923/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.